N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide

C9H15N3O6S2 — CID 175567055

IUPACN,N-bis(methylsulfonylmethylamino)furan-2-carboxamide
SMILESCS(=O)(=O)CNN(NCS(C)(=O)=O)C(=O)c1ccco1
InChIInChI=1S/C9H15N3O6S2/c1-19(14,15)6-10-12(11-7-20(2,16)17)9(13)8-4-3-5-18-8/h3-5,10-11H,6-7H2,1-2H3
InChIKeyQYGNIFWBBOGINS-UHFFFAOYSA-N
MW325.37 g/mol
LogP-1.26
Rot. Bonds7

About N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide

N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide (PubChem CID 175567055) has the molecular formula C9H15N3O6S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(methylsulfonylmethylamino)furan-2-carboxamide
PubChem CID175567055
Molecular FormulaC9H15N3O6S2
Molecular Weight325.37 g/mol
Exact Mass325.04
IUPAC NameN,N-bis(methylsulfonylmethylamino)furan-2-carboxamide
SMILESCS(=O)(=O)CNN(NCS(C)(=O)=O)C(=O)c1ccco1
InChIInChI=1S/C9H15N3O6S2/c1-19(14,15)6-10-12(11-7-20(2,16)17)9(13)8-4-3-5-18-8/h3-5,10-11H,6-7H2,1-2H3
InChIKeyQYGNIFWBBOGINS-UHFFFAOYSA-N
XLogP-1.26
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzylfuran-2-carboxamide
CID 762503
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
[2-[[furan-2-carbonyl(hydroxy)amino]methylamino]-2-oxoethyl]-methylphosphinic acid
CID 59082954
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
furan-2-carbonyl(methyl)carbamic acid;hydrochloride
CID 70634147
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
CID 14292729
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]furan-2-carboxamide
CID 113066628
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
1-(furan-2-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659050
N-benzhydryl-N-methylfuran-2-carboxamide
CID 2510238

Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide?
The IUPAC name of N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide (CID 175567055) is N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide.
What is the SMILES notation for N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide?
The canonical SMILES for N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide is CS(=O)(=O)CNN(NCS(C)(=O)=O)C(=O)c1ccco1.
What is the InChIKey of N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide?
The InChIKey is QYGNIFWBBOGINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O6S2/c1-19(14,15)6-10-12(11-7-20(2,16)17)9(13)8-4-3-5-18-8/h3-5,10-11H,6-7H2,1-2H3.
What are the key properties of N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide?
N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of -1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylsulfonylmethylamino)furan-2-carboxamide is sourced from PubChem (CID 175567055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).